UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12638413
12638413
12638416
12638416
35849244
35849244
35849246
35849246
35865239
35865239

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Popular Name: [4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-phenyl-methanone [4-(2-cyclopropyl-5,6,7,8-tetrah…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 -2.38 -13.21 0 5 0 49 418.566 3 ↓

Analogs

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Popular Name: [4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(4-methoxyphenyl [4-(2-cyclopropyl-5,6,7,8-tetrah…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 12.25 -12.04 0 6 0 59 448.592 4 ↓

Analogs

35849248
35849248
35849250
35849250

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Popular Name: [4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(4-fluorophenyl) [4-(2-cyclopropyl-5,6,7,8-tetrah…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 13.01 -10.74 0 5 0 49 436.556 3 ↓

Analogs

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Popular Name: [4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(2-fluorophenyl) [4-(2-cyclopropyl-5,6,7,8-tetrah…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.72 12.96 -14.97 0 5 0 49 436.556 3 ↓

Analogs

35524839
35524839
35524842
35524842
35525005
35525005
35525007
35525007

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Popular Name: [4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(3-fluorophenyl) [4-(2-cyclopropyl-5,6,7,8-tetrah…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 12.98 -15.19 0 5 0 49 436.556 3 ↓

Analogs

35524706
35524706
35848917
35848917
35865295
35865295
35865296
35865296

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Popular Name: [4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(2,6-dimethoxyph [4-(2-cyclopropyl-5,6,7,8-tetrah…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 11.88 -16.55 0 7 0 68 478.618 5 ↓

Analogs

35524700
35524700
35525000
35525000
35525003
35525003
35865279
35865279
35865281
35865281

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Popular Name: [4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(3-methoxyphenyl [4-(2-cyclopropyl-5,6,7,8-tetrah…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 12.3 -15.45 0 6 0 59 448.592 4 ↓

Analogs

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Popular Name: [4-[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(4 [4-[(7S)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 12.84 -11.7 0 6 0 59 462.619 4 ↓

Analogs

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Popular Name: [4-[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(4 [4-[(7R)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 12.9 -13.36 0 6 0 59 462.619 4 ↓

Analogs

35865420
35865420
35865421
35865421
35865423
35865423
35865425
35865425

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Popular Name: [4-[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(4 [4-[(7S)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 13.6 -10.4 0 5 0 49 450.583 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(4 [4-[(7R)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 13.57 -10.53 0 5 0 49 450.583 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(3 [4-[(7S)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 12.71 -15.11 0 8 0 77 522.671 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(3 [4-[(7R)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 12.7 -15.35 0 8 0 77 522.671 6 ↓

Analogs

35865554
35865554
35865556
35865556
35865557
35865557
35865559
35865559

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Popular Name: [4-[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(2 [4-[(7S)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.20 13.6 -17.01 0 5 0 49 450.583 3 ↓

Analogs

35865554
35865554
35865556
35865556
35865557
35865557
35865559
35865559

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-(2 [4-[(7R)-2-cyclopropyl-7-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.20 13.6 -16.61 0 5 0 49 450.583 3 ↓

Parameters Provided:

ring.id = 224712
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 224712 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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